MULTIPLE COMPUTER-AUTOMATED STRUCTURE EVALUATION STUDY OF AQUATIC TOXICITY. III. VIBRIO FISCHERI

GILLES KLOPMAN; SCOTT E. STUART

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MULTIPLE COMPUTER-AUTOMATED STRUCTURE EVALUATION STUDY OF AQUATIC TOXICITY. III. VIBRIO FISCHERI

机译：水生毒性的多计算机自动结构评估研究。三，费舍里

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An acute toxicity model was constructed on the basis of 901 chemicals tested for toxicity against the luminescent bacteria Vibrio fisckerl (formerly Photobacterium phosphoreum, the Microtox~(~R) test). The model was created using the Multiple Computer-Automated Structure Evaluation (M-CASE) program. The model can correctly predict acute toxicily for 92% of the compounds with an error averaging 0.55 log units per median effect concentration (EC50). The main toxicophores, corresponding to polar and nonpolar narcosis, and other types of reactive chemicals were identified.

机译：基于901种化学物质建立了急性毒性模型，该化学物质针对发光细菌弧菌弧菌进行了毒性测试（以前称为荧光杆菌，Microtox®检测）。使用多计算机自动结构评估（M-CASE）程序创建了模型。该模型可以正确预测92％化合物的急性毒性，每平均效应浓度（EC50）平均误差为0.55 log单位。鉴定了对应于极性和非极性麻醉作用的主要毒理基团以及其他类型的反应性化学物质。

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来源
《Environmental toxicology and chemistry》 |2003年第3期|p.466-472|共7页
作者
GILLES KLOPMAN; SCOTT E. STUART;
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作者单位

Department of Chemistry, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, Ohio 44106, USA;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
原文格式 PDF
正文语种 eng
中图分类环境卫生、环境医学;毒物学（毒理学）;化学工业废物处理与综合利用;
关键词
vibrio fischeri; M-CASE; toxicity; narcosis; microtox~(~R);

机译：费氏弧菌;M-CASE;毒性;麻醉;Microtox〜（〜R）;

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MULTIPLE COMPUTER-AUTOMATED STRUCTURE EVALUATION STUDY OF AQUATIC TOXICITY. III. VIBRIO FISCHERI

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